1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole

C16H15F3N4 — CID 118864303

IUPAC1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4/c1-11-7-15(22(2)21-11)10-23-9-13(8-20-23)12-3-5-14(6-4-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyXYCBFPMJNPHKTB-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.66
Rot. Bonds3

About 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole

1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole (PubChem CID 118864303) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
PubChem CID118864303
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole
SMILESCc1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)cn2)n(C)n1
InChIInChI=1S/C16H15F3N4/c1-11-7-15(22(2)21-11)10-23-9-13(8-20-23)12-3-5-14(6-4-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyXYCBFPMJNPHKTB-UHFFFAOYSA-N
XLogP3.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43817898
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CID 3659088
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CID 16190778
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CID 2986538
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CID 21992681
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The IUPAC name of 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole (CID 118864303) is 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole is Cc1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)cn2)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
The InChIKey is XYCBFPMJNPHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-11-7-15(22(2)21-11)10-23-9-13(8-20-23)12-3-5-14(6-4-12)16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole?
1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole has a molecular weight of 320.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 118864303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).